[Wien] error 'n paralel lapw1

[Gavin Abo]

In addition, check other past posts in the WIEN2k mailing list archive 
and other WIEN2k outputs to that of the error files, such as the 
dayfile, as they might provide additional hints on what is causing the 
error.  For example, one of the posts that might help with parallel 
calculation troubleshooting is:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17317.html

On 2/3/2021 3:44 AM, Peter Blaha wrote:
> It is a bit hard to guess what could go wrong, since you are not 
> telling us how you parallelize (how your .machines file looks)
>
> Since you say:
> a) for smaller systems it works
> b) sometimes it works
>
> it could be a memory problem. Try to use less k-parallel processes and 
> while it is running, check with eg. "top" how much memory is used/free 
> in the lapw1 step.
>
>
> Am 2/3/21 um 11:03 AM schrieb Murat Aycibin:
>> have been trying to run SCF of ZnO with Mg. I have built ZnO supercell
>> and replace one Zn with Mg. after that, i have done initial calculation.
>> everything is fine and no error. when i go for SCF i am getting below 
>> error . I checked several times my inputs, everything looks like 
>> fine, without supercell is working perfectly. And sometime with same 
>> set up it is working also.
>>
>>
>>
>>
>> aycibin at aycibin-CELSIUS-M740:/media/aycibin/depo/Wien2k/znom$ cat 
>> *.error
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> **  Error in Parallel LAPW1
>> **  LAPW1 STOPPED at Çrş 27 Oca 2021 15:40:55 +03
>> **  check ERROR FILES!
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>> Error in LAPW1
>>
>> -- 
>> Yrd Doc Dr. Murat Aycibin
>> Van Yuzuncu Yil Universitesi
>> Fizik Bolumu